Information card for entry 7041826

Structure parameters

• Formula: C4 H12 F12 Mn N2 O14 S4
• Calculated formula: C4 H12 F12 Mn N2 O14 S4
• SMILES: C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Manganese-containing ionic liquids: synthesis, crystal structures and electrodeposition of manganese films and nanoparticles.
• Authors of publication: Sniekers, Jeroen; Malaquias, João C; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2497 - 2509
• a: 10.4969 ± 0.0004 Å
• b: 23.2549 ± 0.0014 Å
• c: 10.2815 ± 0.0004 Å
• α: 90°
• β: 90.464 ± 0.004°
• γ: 90°
• Cell volume: 2509.7 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No